ethyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H24N6O5 MolecularWeight: 380.39896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O5/c1-2-26-16(23)21-7-5-20(6-8-21)15-13(22(24)25)14(18-11-19-15)17-10-12-4-3-9-27-12/h11-12H,2-10H2,1H3,(H,17,18,19)